3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide

C19H21FN2O3S — CID 30125800

IUPAC3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3S/c20-17-5-3-4-16(14-17)19(23)21-11-10-15-6-8-18(9-7-15)26(24,25)22-12-1-2-13-22/h3-9,14H,1-2,10-13H2,(H,21,23)
InChIKeyFYTDUFGJPJQODB-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.58
Rot. Bonds6

About 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide

3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide (PubChem CID 30125800) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
PubChem CID30125800
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3S/c20-17-5-3-4-16(14-17)19(23)21-11-10-15-6-8-18(9-7-15)26(24,25)22-12-1-2-13-22/h3-9,14H,1-2,10-13H2,(H,21,23)
InChIKeyFYTDUFGJPJQODB-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-cyanobenzamide
CID 108736551
N-[2-(3-fluorophenyl)ethyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 26996547
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-2-chloro-6-fluorobenzamide
CID 108736474
2-chloro-N-[2-(4-fluorophenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4002004
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 30125791

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide (CID 30125800) is 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide is O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide?
The InChIKey is FYTDUFGJPJQODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-17-5-3-4-16(14-17)19(23)21-11-10-15-6-8-18(9-7-15)26(24,25)22-12-1-2-13-22/h3-9,14H,1-2,10-13H2,(H,21,23).
What are the key properties of 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide?
3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide has a molecular weight of 376.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 30125800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).